MMs01154869 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 46 0 0 1 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 0.0068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2441 1.3092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7441 1.3159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4882 2.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7324 3.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2324 3.9072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4883 2.6048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4766 5.2029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0234 5.1961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9882 2.6251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7324 3.9275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7441 1.3294 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1402 -0.0436 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8296 -1.2027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2594 -1.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5550 -0.2864 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.2366 1.1794 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.3957 0.8688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2352 2.2986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7653 3.7231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7639 4.8423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2325 4.5370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7025 3.1126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7038 1.9933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6744 -0.3621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6656 0.7481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0054 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0054 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3488 0.2794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3277 4.9559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2883 2.5994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0288 6.3961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2234 5.1907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 3.9961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3712 -1.8492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9691 -2.0099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5904 3.9673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3880 5.9819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0315 5.4324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8774 2.8684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0798 0.8538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2173 -1.7908 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 7 2 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 26 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 24 2 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 26 27 2 0 0 0 0 26 44 1 0 0 0 0 M CHG 1 44 -1 M END